9L45: ATR-ATRIP

ATR-ATRIP bound with VE-822. Determined by electron microscopy at 3.95 Å resolution. Released 21 May 2025.

Method
Electron microscopy
Resolution
3.95 Å
Organism
Homo sapiens
Chains
4
Atoms
33,379
Mol. weight
777.38 kDa
Ligands
ZN, A1EIE
Released
21 May 2025

Explore 9L45 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9L45 contains 311 α-helices and 36 β-strands across 4 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 133 helices, 16 β-strands

ElementResiduesLengthSheet
α-helix11-188
α-helix23-4523
α-helix48-547
α-helix64-7815
α-helix80-834
α-helix91-11121
α-helix114-1163
α-helix117-13620
α-helix139-16527
β-strand17311
β-strand19611
α-helix199-22022
α-helix225-23814
α-helix242-25918
α-helix263-27917
α-helix285-30218
α-helix309-3124
α-helix315-33117
α-helix333-3364
α-helix340-35112
α-helix352-3565
α-helix3581
α-helix365-38521
α-helix390-41122
α-helix456-4594
α-helix461-48020
α-helix486-50621
α-helix537-55317
α-helix558-57922
α-helix585-60218
α-helix606-6105
α-helix614-62613
α-helix630-64213
α-helix649-66113
α-helix665-68218
α-helix688-6892
α-helix690-6967
α-helix701-71818
α-helix720-7234
α-helix731-7333
α-helix779-79214
α-helix800-81314
α-helix818-8214
α-helix827-8348
α-helix841-86020
α-helix863-87917
α-helix884-89613
α-helix901-91818
α-helix922-94827
α-helix964-98219
α-helix987-100519
α-helix1008-102114
α-helix1025-104218
α-helix1046-106015
α-helix1064-110138
α-helix1116-113924
α-helix1145-116218
α-helix1164-118320
α-helix1188-120215
α-helix1209-122517
α-helix1227-12359
α-helix1236-12405
α-helix1242-125110
α-helix1259-127416
α-helix1281-129212
α-helix1297-131317
α-helix1315-13239
β-strand132512
α-helix1328-13292
α-helix1330-134314
α-helix1348-136114
α-helix1390-140920
α-helix1411-142717
α-helix1438-14458
α-helix1448-145811
α-helix1483-14853
α-helix1487-150115
α-helix1505-152016
α-helix1522-153817
α-helix1542-155716
α-helix1572-160029
α-helix1621-163515
α-helix1638-164811
α-helix1651-166414
α-helix1669-168214
α-helix1686-169510
α-helix1699-17013
α-helix1702-171110
α-helix1716-172813
α-helix1734-174512
α-helix1749-176214
α-helix1764-178118
α-helix1784-179310
α-helix1800-181314
α-helix1816-183823
α-helix1843-18464
α-helix1848-186821
α-helix1883-18897
α-helix1894-191017
α-helix1916-193419
α-helix1937-194610
α-helix1952-196615
α-helix1969-198214
α-helix1994-201219
α-helix2018-203114
α-helix2036-205318
α-helix2058-207821
α-helix2083-210725
α-helix2111-213222
α-helix2135-214713
α-helix2154-217017
α-helix2172-218413
α-helix2189-220416
α-helix2207-222115
α-helix2228-22303
β-strand2236-223833
α-helix2239-22424
α-helix2246-22516
α-helix2256-22572
β-strand225914
α-helix2263-22664
β-strand227112
β-strand229214
β-strand2293-229643
β-strand2299-230243
β-strand2310-231673
β-strand2321-232883
α-helix2333-235119
α-helix2353-23586
β-strand2367-236823
β-strand2374-237853
β-strand2383-238535
α-helix2386-239712
α-helix2403-24097
α-helix2417-24237
α-helix2424-24285
α-helix2429-24313
α-helix2436-24438
α-helix2447-247125
β-strand2481-248445
β-strand2490-249235
α-helix2501-25044
α-helix2517-25237
α-helix2531-254515
α-helix2547-255812
α-helix2588-260013
α-helix2612-26154
α-helix2616-262813
α-helix2630-26356
Chain B: 139 helices, 18 β-strands
ElementResiduesLengthSheet
α-helix12-165
α-helix23-4523
α-helix65-7814
α-helix80-834
α-helix90-11223
α-helix114-1185
α-helix120-13718
α-helix139-16527
β-strand17316
β-strand19616
α-helix203-22018
α-helix226-23813
α-helix242-25918
α-helix266-28015
α-helix285-30218
α-helix309-3124
α-helix315-33117
α-helix333-3364
α-helix340-35112
α-helix352-3565
α-helix365-38521
α-helix390-41122
β-strand45217
α-helix456-4594
α-helix461-47919
α-helix486-50520
β-strand53017
α-helix537-55418
α-helix559-57921
α-helix584-60118
α-helix606-6105
α-helix612-6165
α-helix620-6278
α-helix630-64213
α-helix649-65911
α-helix665-68117
α-helix690-6978
α-helix701-71919
α-helix741-7444
α-helix760-76910
α-helix776-79217
α-helix801-81414
α-helix818-83417
α-helix840-86021
α-helix863-87917
α-helix884-89613
α-helix903-91715
α-helix922-9287
α-helix930-94718
α-helix965-98218
α-helix987-9904
α-helix995-100511
α-helix1008-102114
α-helix1025-104319
α-helix1046-106015
α-helix1064-108522
α-helix1087-110014
α-helix1117-113923
α-helix1145-116117
α-helix1167-118317
α-helix1189-120214
α-helix1209-122517
α-helix1227-124014
α-helix1244-12507
α-helix1259-127113
α-helix1282-129312
α-helix1297-131317
α-helix1315-13239
β-strand132518
α-helix1328-13292
α-helix1330-134314
α-helix1348-136114
α-helix1390-140617
α-helix1411-142717
α-helix1441-14455
α-helix1448-145811
α-helix1482-14854
α-helix1487-150115
α-helix1505-152016
α-helix1522-153817
α-helix1542-155716
α-helix1567-160034
α-helix1620-163516
α-helix1638-164710
α-helix1651-166414
α-helix1673-168311
α-helix1686-169510
α-helix1699-17013
α-helix1702-171110
α-helix1716-172813
α-helix1733-174614
α-helix1749-176214
α-helix1765-178117
α-helix1784-179310
α-helix1800-181213
α-helix1816-183823
α-helix1843-18464
α-helix1848-186821
α-helix1883-18897
α-helix1894-191017
α-helix1916-192712
α-helix1937-19404
α-helix1941-19477
α-helix1953-196614
α-helix1969-198315
α-helix1993-201220
α-helix2018-203114
α-helix2036-205419
α-helix2058-207821
α-helix2083-210725
α-helix2112-213221
α-helix2135-21395
α-helix2142-21476
α-helix2148-21503
α-helix2154-217017
α-helix2172-218312
α-helix2188-220417
α-helix2208-222720
α-helix2228-22303
β-strand2236-223839
α-helix2239-22424
α-helix2244-22518
α-helix2256-22572
β-strand2259110
α-helix2260-22612
α-helix2263-22664
β-strand227118
α-helix2279-22824
β-strand2292110
β-strand2293-229649
β-strand2299-230249
β-strand2310-231679
β-strand2321-232779
α-helix2333-235119
α-helix2353-23586
β-strand2367-236939
β-strand2375-237849
β-strand2383-2385311
α-helix2386-239712
α-helix2403-24097
α-helix2417-24237
α-helix2424-24285
α-helix2429-24313
α-helix2436-24438
α-helix2447-247125
α-helix2478-24803
β-strand2481-2484411
β-strand2490-2492311
α-helix2501-25044
α-helix2517-25237
α-helix2531-254515
α-helix2547-255812
α-helix2588-260013
α-helix2613-26153
α-helix2618-262811
α-helix2630-26356
α-helix2638-26403
Chain C: 21 helices, 2 β-strands
ElementResiduesLengthSheet
α-helix311-3166
α-helix329-3346
α-helix372-38918
α-helix400-4067
α-helix414-42815
α-helix431-44010
α-helix465-48824
α-helix490-4978
α-helix537-55014
α-helix552-5532
α-helix555-57420
α-helix579-59315
α-helix600-61415
α-helix619-6224
β-strand625-626212
β-strand628112
α-helix629-6302
α-helix632-6409
α-helix649-66820
α-helix681-70323
α-helix711-73222
α-helix736-76126
α-helix767-77610
Chain D: 18 helices, 0 β-strands
ElementResiduesLengthSheet
α-helix310-3167
α-helix329-3335
α-helix375-39117
α-helix414-42613
α-helix429-4357
α-helix468-48821
α-helix492-4976
α-helix537-55115
α-helix555-57420
α-helix584-59411
α-helix600-61516
α-helix619-6235
α-helix634-6407
α-helix649-66921
α-helix682-70423
α-helix711-73222
α-helix737-76125
α-helix767-7759

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Serine/threonine-protein kinase ATRA, Bprotein2644Homo sapiensQ13535 (AlphaFold model)
ATR-interacting proteinC, Dprotein791Homo sapiensQ8WXE1 (AlphaFold model)
Sequence of entity 1 (A, B), FASTA
>9L45_1 Serine/threonine-protein kinase ATR (chains A, B)
MGEHGLELASMIPALRELGSATPEEYNTVVQKPRQILCQFIDRILTDVNVVAVELVKKTD
SQPTSVMLLDFIQHIMKSSPLMFVNVSGSHEAKGSCIEFSNWIITRLLRIAATPSCHLLH
KKICEVICSLLFLFKSKSPAIFGVLTKELLQLFEDLVYLHRRNVMGHAVEWPVVMSRFLS
QLDEHMGYLQSAPLQLMSMQNLEFIEVTLLMVLTRIIAIVFFRRQELLLWQIGCVLLEYG
SPKIKSLAISFLTELFQLGGLPAQPASTFFSSFLELLKHLVEMDTDQLKLYEEPLSKLIK
TLFPFEAEAYRNIEPVYLNMLLEKLCVMFEDGVLMRLKSDLLKAALCHLLQYFLKFVPAG
YESALQVRKVYVRNICKALLDVLGIEVDAEYLLGPLYAALKMESMEIIEEIQCQTQQENL
SSNSDGISPKRRRLSSSLNPSKRAPKQTEEIKHVDMNQKSILWSALKQKAESLQISLEYS
GLKNPVIEMLEGIAVVLQLTALCTVHCSHQNMNCRTFKDCQHKSKKKPSVVITWMSLDFY
TKVLKSCRSLLESVQKLDLEATIDKVVKIYDALIYMQVNSSFEDHILEDLCGMLSLPWIY
SHSDDGCLKLTTFAANLLTLSCRISDSYSPQAQSRCVFLLTLFPRRIFLEWRTAVYNWAL
QSSHEVIRASCVSGFFILLQQQNSCNRVPKILIDKVKDDSDIVKKEFASILGQLVCTLHG
MFYLTSSLTEPFSEHGHVDLFCRNLKATSQHECSSSQLKASVCKPFLFLLKKKIPSPVKL
AFIDNLHHLCKHLDFREDETDVKAVLGTLLNLMEDPDKDVRVAFSGNIKHILESLDSEDG
FIKELFVLRMKEAYTHAQISRNNELKDTLILTTGDIGRAAKGDLVPFALLHLLHCLLSKS
ASVSGAAYTEIRALVAAKSVKLQSFFSQYKKPICQFLVESLHSSQMTALPNTPCQNADVR
KQDVAHQREMALNTLSEIANVFDFPDLNRFLTRTLQVLLPDLAAKASPAASALIRTLGKQ
LNVNRREILINNFKYIFSHLVCSCSKDELERALHYLKNETEIELGSLLRQDFQGLHNELL
LRIGEHYQQVFNGLSILASFASSDDPYQGPRDIISPELMADYLQPKLLGILAFFNMQLLS
SSVGIEDKKMALNSLMSLMKLMGPKHVSSVRVKMMTTLRTGLRFKDDFPELCCRAWDCFV
RCLDHACLGSLLSHVIVALLPLIHIQPKETAAIFHYLIIENRDAVQDFLHEIYFLPDHPE
LKKIKAVLQEYRKETSESTDLQTTLQLSMKAIQHENVDVRIHALTSLKETLYKNQEKLIK
YATDSETVEPIISQLVTVLLKGCQDANSQARLLCGECLGELGAIDPGRLDFSTTETQGKD
FTFVTGVEDSSFAYGLLMELTRAYLAYADNSRAQDSAAYAIQELLSIYDCREMETNGPGH
QLWRRFPEHVREILEPHLNTRYKSSQKSTDWSGVKKPIYLSKLGSNFAEWSASWAGYLIT
KVRHDLASKIFTCCSIMMKHDFKVTIYLLPHILVYVLLGCNQEDQQEVYAEIMAVLKHDD
QHTINTQDIASDLCQLSTQTVFSMLDHLTQWARHKFQALKAEKCPHSKSNRNKVDSMVST
VDYEDYQSVTRFLDLIPQDTLAVASFRSKAYTRAVMHFESFITEKKQNIQEHLGFLQKLY
AAMHEPDGVAGVSAIRKAEPSLKEQILEHESLGLLRDATACYDRAIQLEPDQIIHYHGVV
KSMLGLGQLSTVITQVNGVHANRSEWTDELNTYRVEAAWKLSQWDLVENYLAADGKSTTW
SVRLGQLLLSAKKRDITAFYDSLKLVRAEQIVPLSAASFERGSYQRGYEYIVRLHMLCEL
EHSIKPLFQHSPGDSSQEDSLNWVARLEMTQNSYRAKEPILALRRALLSLNKRPDYNEMV
GECWLQSARVARKAGHHQTAYNALLNAGESRLAELYVERAKWLWSKGDVHQALIVLQKGV
ELCFPENETPPEGKNMLIHGRAMLLVGRFMEETANFESNAIMKKYKDVTACLPEWEDGHF
YLAKYYDKLMPMVTDNKMEKQGDLIRYIVLHFGRSLQYGNQFIYQSMPRMLTLWLDYGTK
AYEWEKAGRSDRVQMRNDLGKINKVITEHTNYLAPYQFLTAFSQLISRICHSHDEVFVVL
MEIIAKVFLAYPQQAMWMMTAVSKSSYPMRVNRCKEILNKAIHMKKSLEKFVGDATRLTD
KLLELCNKPVDGSSSTLSMSTHFKMLKKLVEEATFSEILIPLQSVMIPTLPSILGTHANH
ASHEPFPGHWAYIAGFDDMVEILASLQKPKKISLKGSDGKFYIMMCKPKDDLRKDCRLME
FNSLINKCLRKDAESRRRELHIRTYAVIPLNDECGIIEWVNNTAGLRPILTKLYKEKGVY
MTGKELRQCMLPKSAALSEKLKVFREFLLPRHPPIFHEWFLRTFPDPTSWYSSRSAYCRS
TAVMSMVGYILGLGDRHGENILFDSLTGECVHVDFNCLFNKGETFEVPEIVPFRLTHNMV
NGMGPMGTEGLFRRACEVTMRLMRDQREPLMSVLKTFLHDPLVEWSKPVKGHSKAPLNET
GEVVNEKAKTHVLDIEQRLQGVIKTRNRVTGLPLSIEGHVHYLIQEATDENLLCQMYLGW
TPYM
Sequence of entity 2 (C, D), FASTA
>9L45_2 ATR-interacting protein (chains C, D)
MAGTSAPGSKRRSEPPAPRPGPPPGTGHPPSKRARGFSAAAAPDPDDPFGAHGDFTADDL
EELDTLASQALSQCPAAARDVSSDHKVHRLLDGMSKNPSGKNRETVPIKDNFELEVLQAQ
YKELKEKMKVMEEEVLIKNGEIKILRDSLHQTESVLEEQRRSHFLLEQEKTQALSDKEKE
FSKKLQSLQSELQFKDAEMNELRTKLQTSERANKLAAPSVSHVSPRKNPSVVIKPEACSP
QFGKTSFPTKESFSANMSLPHPCQTESGYKPLVGREDSKPHSLRGDSIKQEEAQKSFVDS
WRQRSNTQGSILINLLLKQPLIPGSSLSLCHLLSSSSESPAGTPLQPPGFGSTLAGMSGL
RTTGSYDGSFSLSALREAQNLAFTGLNLVARNECSRDGDPAEGGRRAFPLCQLPGAVHFL
PLVQFFIGLHCQALQDLAAAKRSGAPGDSPTHSSCVSSGVETNPEDSVCILEGFSVTALS
ILQHLVCHSGAVVSLLLSGVGADSAAGEGNRSLVHRLSDGDMTSALRGVADDQGQHPLLK
MLLHLLAFSSAATGHLQASVLTQCLKVLVKLAENTSCDFLPRFQCVFQVLPKCLSPETPL
PSVLLAVELLSLLADHDQLAPQLCSHSEGCLLLLLYMYITSRPDRVALETQWLQLEQEVV
WLLAKLGVQSPLPPVTGSNCQCNVEVVRALTVMLHRQWLTVRRAGGPPRTDQQRRTVRCL
RDTVLLLHGLSQKDKLFMMHCVEVLHQFDQVMPGVSMLIRGLPDVTDCEEAALDDLCAAE
TDVEDPEVECG

Ligands and cofactors

IDNameFormulaCopies
ZNZinc ionZn2
A1EIEVE-822C24 H25 N5 O3 S4

Primary citation

Molecular architecture and inhibition mechanism of human ATR-ATRIP. Wang, G., Wang, P., Zheng, Z. et al. Sci Bull (Beijing) (2025) 70:2137-2146. DOI 10.1016/j.scib.2025.05.009 · PubMed

Other PDB entries of the same protein (UniProt Q13535 (AlphaFold model), which also has an AlphaFold model), best resolution first:

Browse structure collections

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